PPIRE13177

Target Protein Information
Protein_Name None
Protein_Sequence TENLEAIDLHTSAGYPYSALGIKKRDILDPTTRDVSKMKFYMDKYGLDLPYSTYVKDELRSIDKIKKGKSRLIEASSLNDSVYLRMAFGHLYEAFHANPGTITGSAVGCNPDTFWSKLPILLPGSLFAFDYSGYDASLSPVWFRALELVLREIGYSEEAVSLIEGINHTHHVYRNKTYCVLGGMPSGCSGTSIFNSMINNIIIRALLIKTFKGIDLDELNMVAYGDDVLASYPFPID
Organism_Source Human enterovirus 71
Functional_Classification RNA-dependent RNA polymerases
Cellular_Localization Cytoplasm
Gene_Names None
UniProt_ID F8SSY1
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name VPg
Peptide_Sequence GAYSXXPKXXLKXPALRXXT
Peptide_Length 20
Peptide_SMILES CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1801.04
Aliphatic_Index 49.00000
Aromaticity 0.05000
Average_Rotatable_Bonds 2.85000
Charge_at_pH_7 2.99654
Isoelectric_Point 10.90181
Number_of_Hydrogen_Bond_Acceptors 27
Number_of_Hydrogen_Bond_Donors 27
Topological_Polar_Surface_Area 773.27000
X_logP_energy -11.35223
Interaction Information
Affinity KD=57.5 uM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 4IKA
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Crystal structure of enterovirus 71 RNA-dependent RNA polymerase complexed with its protein primer VPg: implication for a trans mechanism of VPg uridylylation.
Release_Year 2013
PMID 23487447
DOI 10.1128/JVI.02733-12